2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;5-chloro-2-ethyl-3-phenylquinazolin-4-one

C23H20ClN7O2 — CID 144824115

IUPAC2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;5-chloro-2-ethyl-3-phenylquinazolin-4-one
SMILESCCc1nc2cccc(Cl)c2c(=O)n1-c1ccccc1.NC(=O)c1c(N)nn2cccnc12
InChIInChI=1S/C16H13ClN2O.C7H7N5O/c1-2-14-18-13-10-6-9-12(17)15(13)16(20)19(14)11-7-4-3-5-8-11;8-5-4(6(9)13)7-10-2-1-3-12(7)11-5/h3-10H,2H2,1H3;1-3H,(H2,8,11)(H2,9,13)
InChIKeyJMPMWIVGRRPYSY-UHFFFAOYSA-N
MW461.91 g/mol
LogP3.01
Rot. Bonds3

About 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;5-chloro-2-ethyl-3-phenylquinazolin-4-one

2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;5-chloro-2-ethyl-3-phenylquinazolin-4-one (PubChem CID 144824115) has the molecular formula C23H20ClN7O2 and a molecular weight of 461.91 g/mol. Its IUPAC name is 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;5-chloro-2-ethyl-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;5-chloro-2-ethyl-3-phenylquinazolin-4-one
PubChem CID144824115
Molecular FormulaC23H20ClN7O2
Molecular Weight461.91 g/mol
Exact Mass461.14
IUPAC Name2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;5-chloro-2-ethyl-3-phenylquinazolin-4-one
SMILESCCc1nc2cccc(Cl)c2c(=O)n1-c1ccccc1.NC(=O)c1c(N)nn2cccnc12
InChIInChI=1S/C16H13ClN2O.C7H7N5O/c1-2-14-18-13-10-6-9-12(17)15(13)16(20)19(14)11-7-4-3-5-8-11;8-5-4(6(9)13)7-10-2-1-3-12(7)11-5/h3-10H,2H2,1H3;1-3H,(H2,8,11)(H2,9,13)
InChIKeyJMPMWIVGRRPYSY-UHFFFAOYSA-N
XLogP3.01
TPSA134.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.91
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-5-[2-(6-oxo-1H-pyridin-3-yl)ethynyl]-3-phenylquinazolin-4-one
CID 144926736
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-5-[2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethynyl]-3-phenylquinazolin-4-one
CID 144926925
3-aminopyrazine-2-carboxamide;5-chloro-2-ethyl-3-phenylquinazolin-4-one
CID 144824068
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;3-(3,4-difluorophenyl)-2-ethyl-5-ethynylquinazolin-4-one
CID 144825003
7-aminopyrazolo[1,5-a][1,3,5]triazine-8-carboxamide;2-ethyl-5-methyl-3-phenylquinazolin-4-one
CID 145415730
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;8-chloro-3-ethyl-2-(2-phenylethyl)isoquinolin-1-one
CID 144823958
2-amino-N-[1-[5-chloro-3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123513569
2-amino-N-[(1S)-1-[5-(3-hydroxyprop-1-ynyl)-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118004351
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-8-[2-(5-methyl-1,3-thiazol-4-yl)ethynyl]-2-phenylisoquinolin-1-one
CID 144824584
2-aminopyrazolo[1,5-d][1,2,4]triazine-3-carboxamide;2-ethyl-5-methyl-3-phenylquinazolin-4-one
CID 145415673
2-amino-N-[1-[8-chloro-2-(3-chlorophenyl)-1-oxoisoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 168899800
2-aminopyrazolo[1,5-a]pyridine-3-carboxamide;8-chloro-3-ethyl-2-phenylisoquinolin-1-one
CID 145415656

Frequently Asked Questions

What is the IUPAC name of 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;5-chloro-2-ethyl-3-phenylquinazolin-4-one?
The IUPAC name of 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;5-chloro-2-ethyl-3-phenylquinazolin-4-one (CID 144824115) is 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;5-chloro-2-ethyl-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;5-chloro-2-ethyl-3-phenylquinazolin-4-one?
The canonical SMILES for 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;5-chloro-2-ethyl-3-phenylquinazolin-4-one is CCc1nc2cccc(Cl)c2c(=O)n1-c1ccccc1.NC(=O)c1c(N)nn2cccnc12.
What is the InChIKey of 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;5-chloro-2-ethyl-3-phenylquinazolin-4-one?
The InChIKey is JMPMWIVGRRPYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O.C7H7N5O/c1-2-14-18-13-10-6-9-12(17)15(13)16(20)19(14)11-7-4-3-5-8-11;8-5-4(6(9)13)7-10-2-1-3-12(7)11-5/h3-10H,2H2,1H3;1-3H,(H2,8,11)(H2,9,13).
What are the key properties of 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;5-chloro-2-ethyl-3-phenylquinazolin-4-one?
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;5-chloro-2-ethyl-3-phenylquinazolin-4-one has a molecular weight of 461.91 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;5-chloro-2-ethyl-3-phenylquinazolin-4-one is sourced from PubChem (CID 144824115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).